Compound Detail
CHEMBL1088901
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Basic Information
| ChEMBL ID | CHEMBL1088901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKNUBNZRMFTLIJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
428.3
MW (Da)
4.42
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 190.0 | nM | 6.72 | Inhibition of EGFR Leu858Arg and Thr790Met mutant by HTRF assay | 20222733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20222733 | 10.1021/jm901877j | ADMET | 8 |
| 20222733 | 10.1021/jm901877j | Unchecked | 5 |
| 20222733 | 10.1021/jm901877j | Epidermal growth factor receptor | 3 |
| 20222733 | 10.1021/jm901877j | Serine/threonine-protein kinase PLK1 | 1 |
| 20222733 | 10.1021/jm901877j | Dual specificity tyrosine-phosphorylation-regulated kinase 3 | 1 |
| 20222733 | 10.1021/jm901877j | Fibroblast growth factor receptor 1 | 1 |
| 20222733 | 10.1021/jm901877j | Mitogen-activated protein kinase 14 | 1 |
| 20222733 | 10.1021/jm901877j | Calcium/calmodulin-dependent protein kinase type 1 | 1 |
| 20222733 | 10.1021/jm901877j | Mitogen-activated protein kinase kinase kinase kinase 2 | 1 |
| 20222733 | 10.1021/jm901877j | Serine/threonine-protein kinase Chk2 | 1 |
| 20222733 | 10.1021/jm901877j | Ephrin type-A receptor 2 | 1 |
| 20222733 | 10.1021/jm901877j | Maternal embryonic leucine zipper kinase | 1 |
| 20222733 | 10.1021/jm901877j | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 20222733 | 10.1021/jm901877j | Serine/threonine-protein kinase D1 | 1 |
| 20222733 | 10.1021/jm901877j | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 20222733 | 10.1021/jm901877j | Misshapen-like kinase 1 | 1 |
| 20222733 | 10.1021/jm901877j | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 20222733 | 10.1021/jm901877j | Ephrin type-B receptor 3 | 1 |
| 20222733 | 10.1021/jm901877j | Tyrosine-protein kinase Yes | 1 |
| 20222733 | 10.1021/jm901877j | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine